ethyl 6-azanyl-5-cyano-4-pyridin-3-yl-2-(thiocyanatomethyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-4-pyridin-3-yl-2-(thiocyanatomethyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(3-pyridyl)-2-(thiocyanatomethyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(3-pyridinyl)-2-(thiocyanatomethyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-pyridin-3-yl-2-(thiocyanatomethyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(3-pyridyl)-2-(thiocyanatomethyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC#N

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC#N

InChI

InChI=1S/C16H14N4O3S/c1-2-22-16(21)14-12(8-24-9-18)23-15(19)11(6-17)13(14)10-4-3-5-20-7-10/h3-5,7,13H,2,8,19H2,1H3